3,3′-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diyl)dipropanonitrile methanol disolvate
The asymmetric unit of the title compound, C22H42N6·2CH4O, comprises one half of a 14-membered tetraazacyclotetradecane macrocycle with cyanoethyl substituents on one of the N atoms and a methanol solvent molecule. The macrocycle lies about an inversion centre. The cyanoethyl substituen...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2010-05-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810013073 |
| _version_ | 1818286192640131072 |
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| author | Cheng-Jun Hao Yan-Hua Zhang |
| author_facet | Cheng-Jun Hao Yan-Hua Zhang |
| author_sort | Cheng-Jun Hao |
| collection | DOAJ |
| description | The asymmetric unit of the title compound, C22H42N6·2CH4O, comprises one half of a 14-membered tetraazacyclotetradecane macrocycle with cyanoethyl substituents on one of the N atoms and a methanol solvent molecule. The macrocycle lies about an inversion centre. The cyanoethyl substituents are oriented so that the cyano groups lie over opposite faces of the central cavity of the macrocycle. The methanol solvate molecules lie away from the cavity of the macrocycle and are linked to the macrocycles via O—H...N hydrogen bonds. |
| first_indexed | 2024-12-13T01:20:41Z |
| format | Article |
| id | doaj.art-314cb03d83664118b3d9d007d1815958 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T01:20:41Z |
| publishDate | 2010-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-314cb03d83664118b3d9d007d18159582022-12-22T00:04:14ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-05-01665o1089o108910.1107/S16005368100130733,3′-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diyl)dipropanonitrile methanol disolvateCheng-Jun HaoYan-Hua ZhangThe asymmetric unit of the title compound, C22H42N6·2CH4O, comprises one half of a 14-membered tetraazacyclotetradecane macrocycle with cyanoethyl substituents on one of the N atoms and a methanol solvent molecule. The macrocycle lies about an inversion centre. The cyanoethyl substituents are oriented so that the cyano groups lie over opposite faces of the central cavity of the macrocycle. The methanol solvate molecules lie away from the cavity of the macrocycle and are linked to the macrocycles via O—H...N hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S1600536810013073 |
| spellingShingle | Cheng-Jun Hao Yan-Hua Zhang 3,3′-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diyl)dipropanonitrile methanol disolvate Acta Crystallographica Section E |
| title | 3,3′-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diyl)dipropanonitrile methanol disolvate |
| title_full | 3,3′-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diyl)dipropanonitrile methanol disolvate |
| title_fullStr | 3,3′-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diyl)dipropanonitrile methanol disolvate |
| title_full_unstemmed | 3,3′-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diyl)dipropanonitrile methanol disolvate |
| title_short | 3,3′-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane-1,8-diyl)dipropanonitrile methanol disolvate |
| title_sort | 3 3 amp 8242 5 5 7 12 12 14 hexamethyl 1 4 8 11 tetraazacyclotetradecane 1 8 diyl dipropanonitrile methanol disolvate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536810013073 |
| work_keys_str_mv | AT chengjunhao 33amp8242557121214hexamethyl14811tetraazacyclotetradecane18diyldipropanonitrilemethanoldisolvate AT yanhuazhang 33amp8242557121214hexamethyl14811tetraazacyclotetradecane18diyldipropanonitrilemethanoldisolvate |